CID 322560

2-iodo-4-methyl-1h-imidazole

Structural Information

Molecular Formula
C4H5IN2
SMILES
CC1=CN=C(N1)I
InChI
InChI=1S/C4H5IN2/c1-3-2-6-4(5)7-3/h2H,1H3,(H,6,7)
InChIKey
MKYIDOKPUHVHJL-UHFFFAOYSA-N
Compound name
2-iodo-5-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

207.94975 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.957026 121.9
[M+Na]+ 230.938968 124.6
[M-H]- 206.942474 115.3
[M+NH4]+ 225.983573 138.8
[M+K]+ 246.912908 128.8
[M+H-H2O]+ 190.947010 112.5
[M+HCOO]- 252.947951 139.6
[M+CH3COO]- 266.963601 172.7
[M+Na-2H]- 228.924416 116.9
[M]+ 207.94920142 118.0
[M]- 207.95029858 118.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe